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Your search keyword '"Costa, Camilla"' showing total 2 results
Start Over Author "Costa, Camilla" Journal molecular physics
2 results on '"Costa, Camilla"'

1. Polarizability pseudospectra and dispersion coefficients for H(1s)-H(1s)

Author

Magnasco, Valerio, Ottonelli, Massimo, Figari, G., Rui, Marina, and Costa, Camilla

Subjects
Basis (linear algebra), Chemistry, Polarizability, Computational chemistry, Dispersion (optics), Biophysics, Exponent, Physical and Theoretical Chemistry, Atomic physics, Condensed Matter Physics, Multipole expansion, Molecular Biology
Abstract

Pseudostate decomposition of the first five multipole static polarizabilities of H(1s) obtained from a Givens-Householder diagonalization of (H 0 - EE0) over a N-term STO basis with orbital exponent c = 1 allows for a rapidly convergent evaluation of c 2n dispersion coefficients for H(1s)-H(1s). Twenty-five term pseudospectra with exact ψ0 give C2n values that are accurate to at least 16 significant figures up to 2 n = 14.

Published
1998

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